1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine

C14H24N6 — CID 20609172

IUPAC1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine
SMILESCN(C)CCC/N=C(\N)N/C(N)=N/Cc1ccccc1
InChIInChI=1S/C14H24N6/c1-20(2)10-6-9-17-13(15)19-14(16)18-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H5,15,16,17,18,19)
InChIKeyWYDWRRLJIUSSST-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.36
Rot. Bonds6

About 1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine

1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine (PubChem CID 20609172) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine.

Molecular Properties

Compound Name1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine
PubChem CID20609172
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine
SMILESCN(C)CCC/N=C(\N)N/C(N)=N/Cc1ccccc1
InChIInChI=1S/C14H24N6/c1-20(2)10-6-9-17-13(15)19-14(16)18-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H5,15,16,17,18,19)
InChIKeyWYDWRRLJIUSSST-UHFFFAOYSA-N
XLogP0.36
TPSA92.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 130557075
2-benzyl-1-[2-(dimethylamino)phenyl]guanidine
CID 130568032
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
CID 70216341
1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine
CID 10793911
1-(N'-benzylcarbamimidoyl)-2-nonylguanidine;2-N-benzyl-6,6-dimethyl-4-N-undecyl-1,3,5-triazinane-2,4-diimine;oxalic acid;dihydrochloride
CID 158840427
2-benzyl-1-[8-[(N'-benzylcarbamimidoyl)amino]octyl]guanidine
CID 155530379
2-benzyl-1-[6-[(N'-benzylcarbamimidoyl)amino]hexyl]guanidine
CID 12991061
2-[3-(dibenzylamino)propyl]-1-propan-2-ylguanidine
CID 111722085
2-benzyl-1-phenylguanidine
CID 12910062
N'-benzylpropanimidamide
CID 45122449

Frequently Asked Questions

What is the IUPAC name of 1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine?
The IUPAC name of 1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine (CID 20609172) is 1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine.
What is the SMILES notation for 1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine?
The canonical SMILES for 1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine is CN(C)CCC/N=C(\N)N/C(N)=N/Cc1ccccc1.
What is the InChIKey of 1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine?
The InChIKey is WYDWRRLJIUSSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-20(2)10-6-9-17-13(15)19-14(16)18-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H5,15,16,17,18,19).
What are the key properties of 1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine?
1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine has a molecular weight of 276.39 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine is sourced from PubChem (CID 20609172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).